2-[7-bromanyl-5-(2-fluorophenyl)-3-methyl-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]propanoic acid

Systemtic Name: 2-[7-bromanyl-5-(2-fluorophenyl)-3-methyl-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]propanoic acid Openeye Name: 2-[7-bromo-5-(2-fluorophenyl)-3-methyl-2-thioxo-3H-1,4-benzodiazepin-1-yl]propanoic acid CAS Name: 2-[7-bromo-5-(2-fluorophenyl)-3-methyl-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]propanoic acid IUPAC Name: 2-[7-bromo-5-(2-fluorophenyl)-3-methyl-2-sulfanylidene-3H-1,4-benzodiazepin-1-yl]propanoic acid Traditional Name: 2-[7-bromo-5-(2-fluorophenyl)-3-methyl-2-thioxo-3H-1,4-benzodiazepin-1-yl]propionic acid Formula: C19H16BrFN2O2S MolecularWeight: 435.309943

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=S)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3F)C(C)C(=O)O

Isomeric SMILES

CC1C(=S)N(C2=C(C=C(C=C2)Br)C(=N1)C3=CC=CC=C3F)C(C)C(=O)O

InChI

InChI=1S/C19H16BrFN2O2S/c1-10-18(26)23(11(2)19(24)25)16-8-7-12(20)9-14(16)17(22-10)13-5-3-4-6-15(13)21/h3-11H,1-2H3,(H,24,25)